Geometry & MOs

Info

ID:	197399
PubChem CID:	78962187
Reduced:	FN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	274.097187
ΔH_f, kcal/mol:	-86.86
Dipole, Da:	2.86
IP(EA), eV:	-10.04(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-chloro-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)C2=CN=C(C=C2)F

DOS

IR

Vibrations